N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide

C17H16ClN3O3S — CID 2295445

IUPACN-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
SMILESCCn1c(O)c(/N=N/S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H16ClN3O3S/c1-3-21-15-9-6-12(18)10-14(15)16(17(21)22)19-20-25(23,24)13-7-4-11(2)5-8-13/h4-10,22H,3H2,1-2H3/b20-19+
InChIKeyZJSCOXMKSQREJA-FMQUCBEESA-N
MW377.85 g/mol
LogP4.80
Rot. Bonds4

About N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide

N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide (PubChem CID 2295445) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
PubChem CID2295445
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
SMILESCCn1c(O)c(/N=N/S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H16ClN3O3S/c1-3-21-15-9-6-12(18)10-14(15)16(17(21)22)19-20-25(23,24)13-7-4-11(2)5-8-13/h4-10,22H,3H2,1-2H3/b20-19+
InChIKeyZJSCOXMKSQREJA-FMQUCBEESA-N
XLogP4.80
TPSA84.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide
CID 135900973
N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
CID 135537733
N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide
CID 1098404
2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
CID 4500392
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide
CID 135738262
1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
CID 135819452
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
CID 2461663
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
N-[5-chloro-2-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]imino-2-(4-methylphenoxy)acetamide
CID 135571523
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide
CID 135647686
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide (CID 2295445) is N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide is CCn1c(O)c(/N=N/S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide?
The InChIKey is ZJSCOXMKSQREJA-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-3-21-15-9-6-12(18)10-14(15)16(17(21)22)19-20-25(23,24)13-7-4-11(2)5-8-13/h4-10,22H,3H2,1-2H3/b20-19+.
What are the key properties of N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide?
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide is sourced from PubChem (CID 2295445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).